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Compound Detail

CHEMBL3115250

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Cn1cncc1C(=O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3115250
Phase Preclinical
Structure Type MOL
InChI Key WKBXBIQWDYKVIC-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

520.0
MW (Da)
4.85
ALogP
7
HBA
0
HBD
80.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30ClN5O3
MW 520.03
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
24462667 10.1016/j.bmcl.2013.12.046 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine